本文選題：結(jié)核分枝桿菌　切入點(diǎn)：Fts　出處：《中國(guó)新藥雜志》2015年05期 　論文類型：期刊論文

【摘要】：目的:篩選可能作用于結(jié)核分枝桿菌Fts Z靶點(diǎn)的化合物,并且評(píng)價(jià)化合物的抗結(jié)核作用。方法:以結(jié)核分枝桿菌Fts Z為靶點(diǎn),通過Discovery Studio虛擬篩選,選擇候選化合物。測(cè)定候選化合物抑制Fts Z的GTP酶活性的IC50,并通過對(duì)恥垢分枝桿菌抑制的MIC評(píng)價(jià)其抗結(jié)核作用。結(jié)果:對(duì)化合物庫(5 000個(gè)化合物)虛擬篩選,得到3個(gè)打分較高的化合物。體外實(shí)驗(yàn)發(fā)現(xiàn)這3個(gè)化合物能夠在體外抑制結(jié)核分枝桿菌Fts Z的GTP酶活性,其IC50分別為9.96,14.02,16.17μmol·L-1。并且這3個(gè)化合物都具有抗恥垢分枝桿菌活性。結(jié)論:通過虛擬篩選得到的3個(gè)化合物將為抗結(jié)核藥物的研發(fā)提供線索,也對(duì)藥物虛擬篩選和基于結(jié)構(gòu)的藥物開發(fā)提供新的信息。
[Abstract]:Objective: to screen the compounds that might act on the target of Fts Z of Mycobacterium tuberculosis, and to evaluate the antituberculous effect of the compounds. Methods: using Fts Z of Mycobacterium tuberculosis as the target, Discovery Studio was used to screen the compounds. The activity of GTP enzyme of Fts Z was determined by IC50, and its antituberculous effect was evaluated by MIC inhibited by Mycobacterium smearicus. Results: a virtual screening of 5 000 compounds in compound library was carried out. Three compounds with high score were obtained. The results showed that the three compounds could inhibit the GTP enzyme activity of Mycobacterium tuberculosis Fts Z in vitro. The IC50 of these three compounds were 9.96 渭 mol 路L ~ (-1) and 14.02 渭 mol 路L ~ (-1), respectively. Conclusion: the three compounds obtained by virtual screening will provide clues for the research and development of antituberculous drugs. It also provides new information for virtual drug screening and structure-based drug development.
【作者單位】： 中國(guó)醫(yī)學(xué)科學(xué)院醫(yī)藥生物技術(shù)研究所國(guó)家新藥(微生物)篩選實(shí)驗(yàn)室;藥物研究所醫(yī)藥生物技術(shù)研究所國(guó)家新藥(微生物)篩選實(shí)驗(yàn)室;
【基金】：國(guó)家自然科學(xué)基金(81302816,81321004)
【分類號(hào)】：R96

【相似文獻(xiàn)】

相關(guān)期刊論文 前10條

1 李洪林,沈建華,羅小民,沈旭,朱維良,王希誠(chéng),陳凱先,蔣華良;虛擬篩選與新藥發(fā)現(xiàn)[J];生命科學(xué);2005年02期

2 V．Leroux;B．Maigret;;基于結(jié)構(gòu)的虛擬篩選技術(shù)能更廣泛應(yīng)用于現(xiàn)代藥物發(fā)現(xiàn)?(英文)[J];計(jì)算機(jī)與應(yīng)用化學(xué);2007年01期

3 董國(guó)霞;姜威;司書毅;易紅;張?jiān)虑?;基于結(jié)構(gòu)的肽脫甲�；敢种苿┑奶摂M篩選及活性研究[J];中國(guó)抗生素雜志;2012年01期

4 吳萍;孔德信;;HMG-CoA還原酶抑制劑的虛擬篩選模型的建立[J];計(jì)算機(jī)與應(yīng)用化學(xué);2009年11期

5 李悅青;黃雅俊;趙偉杰;王希誠(chéng);;氮雜，

本文編號(hào)：1632926